AG0008A3

1027513-14-9 | Benzene, 1-fluoro-3-iodo-5-(trifluoromethyl)-

AG0008A3

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CAS Number	1027513-14-9
Catalog Number	AG0008A3(AGN-PC-0ORU93)
Chemical Name	Benzene, 1-fluoro-3-iodo-5-(trifluoromethyl)-
IUPAC Name	1-fluoro-3-iodo-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F4I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H
InChI Key	WSIULLRVUJJWOW-UHFFFAOYSA-N
MDL Number	MFCD09800718
Molecular Formula	C7H3F4I
Molecular Weight	289.9968
SMILES	FC(C1=CC(I)=CC(F)=C1)(F)F
Synonyms	1-Fluoro-3-iodo-5-(trifluoromethyl)benzene, 1027513-14-9, 3-Fluoro-5-iodobenzotrifluoride, MFCD09800718, SCHEMBL18260731, CTK8B9125, DTXSID30673781, KS-00000Q9B, 0668AA, ANW-62071, ZINC49582106, AKOS016004844, AS05930, CM13247, FS-6465, AK102501, AJ-111103, TR-033851, BB 0262414, CS-0060195, FT-0682412, ST24038020, Benzene, 1-fluoro-3-iodo-5-(trifluoromethyl)-, C7H3F4I, CB11277,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.922g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.999g/mol
Monoisotopic Mass	289.922g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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